5-Bromo-2-phenylthiazole supplier

Name
5-BROMO-2-PHENYLTHIAZOLE
EINECS
CAS No. 53715-67-6
Article Data16
CAS DataBase
Density 1.563 g/cm³
Solubility
Melting Point 82℃
Formula C₉H₆BrNS
Boiling Point 335.6 °C at 760 mmHg
Molecular Weight 240.123
Flash Point 156.8 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 5-BROMO-2-PHENYLTHIAZOLE;5-broMo-2-phenyl-1,3-thiazole;2-Phenyl-5-broMothiazole
PSA 41.13000
LogP 3.57260

5-Bromo-2-phenylthiazole Specification

This product is an organic compound with the formula C₉H₆BrNS. The systematic name of this chemical is 5-bromo-2-phenyl-thiazole. With the CAS registry number 53715-67-6, it is also named as thiazole, 5-bromo-2-phenyl-.

The other characteristics of 5-Bromo-2-phenylthiazole can be summarized as: (1)ACD/LogP: 4.01; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 4.01; (4)ACD/LogD (pH 7.4): 4.01; (5)ACD/BCF (pH 5.5): 658.32; (6)ACD/BCF (pH 7.4): 658.33; (7)ACD/KOC (pH 5.5): 3622.76; (8)ACD/KOC (pH 7.4): 3622.78; (9)#H bond acceptors: 1; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 41.13 Å²; (13)Index of Refraction: 1.635; (14)Molar Refractivity: 55.01 cm³; (15)Molar Volume: 153.6 cm³; (16)Polarizability: 21.8×10^-24 cm³; (17)Surface Tension: 49.9 dyne/cm; (18)Density: 1.563 g/cm³; (19)Flash Point: 156.8 °C; (20)Enthalpy of Vaporization: 55.57 kJ/mol; (21)Boiling Point: 335.6 °C at 760 mmHg; (22)Vapour Pressure: 0.000231 mmHg at 25°C.

People can use the following data to convert to the molecule structure.
1. SMILES:c1ccc(cc1)c2ncc(s2)Br
2. InChI:InChI=1/C9H6BrNS/c10-8-6-11-9(12-8)7-4-2-1-3-5-7/h1-6H
3. InChIKey:QCVVLWIDBXNFEO-UHFFFAOYAF
4. Std. InChI:InChI=1S/C9H6BrNS/c10-8-6-11-9(12-8)7-4-2-1-3-5-7/h1-6H
5. Std. InChIKey:QCVVLWIDBXNFEO-UHFFFAOYSA-N

Product Name

5-BROMO-2-PHENYLTHIAZOLE

5-Bromo-2-phenylthiazole Specification

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